Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NVE5
UPID:
UBP40_HUMAN
Alternative names:
Deubiquitinating enzyme 40; Ubiquitin thioesterase 40; Ubiquitin-specific-processing protease 40
Alternative UPACC:
Q9NVE5; Q6NX38; Q70EL0
Background:
Ubiquitin carboxyl-terminal hydrolase 40, also known as Deubiquitinating enzyme 40, Ubiquitin thioesterase 40, and Ubiquitin-specific-processing protease 40, is a protein encoded by the gene with the accession number Q9NVE5. It is suggested to be catalytically inactive, indicating a unique role in cellular processes distinct from traditional enzymatic activities.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 40 could open doors to potential therapeutic strategies. Its unique position in cellular mechanisms makes it a compelling target for drug discovery, aiming to modulate its function for therapeutic benefits.